pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.885	IUPAC digitized pKa	1	0	CC[NH+](CC)CCNC(=O)c1cc(C)ccc1C	CCN(CC)CCNC(=O)c1cc(C)ccc1C	mol6161	CCN(CC)CCNC(=O)c1cc(C)ccc1C
8.89	AttenGpKa training set	1	0	CC[NH+](CC)CCNC(=O)c1cc(C)ccc1C	CCN(CC)CCNC(=O)c1cc(C)ccc1C	mol6161	CCN(CC)CCNC(=O)c1cc(C)ccc1C